Description

2-tert-Butyl 8A-Methyl 3,4,6,7,8,8A-Hexahydro-6-Oxoisoquinoline-2,8A(1H)-Dicarboxylate is a high-purity, advanced pharmaceutical intermediate characterized by its complex, functionalized isoquinoline core structure. This compound is of significant value for its role as a key synthetic building block in the development of novel active pharmaceutical ingredients (APIs). It is primarily sought after by research institutions and pharmaceutical manufacturers engaged in medicinal chemistry, process development, and the synthesis of complex heterocyclic compounds for therapeutic applications.

Application

• Pharmaceutical Intermediate: Serves as a critical precursor in the multi-step synthesis of potential drug candidates, particularly those targeting the central nervous system or other therapeutic areas.
• Medicinal Chemistry Research: Used in lead optimization and structure-activity relationship (SAR) studies to develop new molecules with improved efficacy and safety profiles.
• Process Chemistry Development: Employed in scaling up synthetic routes from laboratory to pilot plant and commercial manufacturing scales.
• Academic & Institutional Research: Utilized in universities and R&D centers for exploring new synthetic methodologies and heterocyclic chemistry.
• Custom Synthesis & Contract Manufacturing: A key starting material for fine chemical suppliers offering bespoke synthesis services to the pharmaceutical industry.
• API Synthesis: Integral to the construction of the core scaffold in complex target molecules destined for preclinical and clinical evaluation.

Basic Information

Product Name	2-tert-Butyl 8A-Methyl 3,4,6,7,8,8A-Hexahydro-6-Oxoisoquinoline-2,8A(1H)-Dicarboxylate
CAS No.	697798-87-1
Molecular Formula	C17H25NO5
Molecular Weight	323.39 g/mol
Synonyms	tert-Butyl 8a-methyl 6-oxo-1,3,4,6,7,8-hexahydro-2H-isoquinoline-2,8a(5H)-dicarboxylate; 2-tert-Butyl 8a-methyl 3,4,6,7,8,8a-hexahydro-6-oxoisoquinoline-2,8a(1H)-dicarboxylate; 2-(tert-Butoxycarbonyl)-8a-methyl-6-oxo-1,2,3,4,6,7,8,8a-octahydroisoquinoline-8a-carboxylic acid methyl ester; Hexahydro-6-oxoisoquinoline dicarboxylate derivative; BOC-protected isoquinolinone derivative
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management systems to ensure batch-to-batch consistency and high purity. Quality is verified through comprehensive analytical techniques including HPLC, GC, NMR, and mass spectrometry. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting purity, identity, and impurity profiles to support your regulatory and research requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (typically 15-25°C). Keep away from incompatible materials. For long-term storage, consider inert atmosphere conditions to preserve stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Related Substances (HPLC)	Individual impurity ≤ 0.5%; Total impurities ≤ 2.0%
Residual Solvents (GC)	Complies with ICH Q3C guidelines
Water Content (KF)	≤ 0.5%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.